Calcium in PDB 4omc: X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Enzymatic activity of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
All present enzymatic activity of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba:
3.4.21.75;
Protein crystallography data
The structure of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba, PDB code: 4omc
was solved by
S.O.Dahms,
M.E.Than,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
141.178,
152.849,
168.306,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.5 /
21.6
|
Other elements in 4omc:
The structure of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Calcium atom in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
(pdb code 4omc). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 18 binding sites of Calcium where determined in the
X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba, PDB code: 4omc:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 1 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca605
b:21.7
occ:1.00
|
O
|
A:VAL205
|
2.2
|
22.1
|
1.0
|
OD2
|
A:ASP115
|
2.3
|
18.6
|
1.0
|
O
|
A:VAL210
|
2.3
|
19.9
|
1.0
|
OD1
|
A:ASP162
|
2.4
|
18.4
|
1.0
|
O
|
A:GLY212
|
2.4
|
19.7
|
1.0
|
OD1
|
A:ASN208
|
2.5
|
26.4
|
1.0
|
OD2
|
A:ASP162
|
2.7
|
21.4
|
1.0
|
CG
|
A:ASP162
|
2.9
|
20.6
|
1.0
|
CG
|
A:ASP115
|
3.4
|
21.0
|
1.0
|
C
|
A:VAL205
|
3.4
|
21.2
|
1.0
|
CG
|
A:ASN208
|
3.5
|
23.9
|
1.0
|
C
|
A:VAL210
|
3.5
|
22.5
|
1.0
|
C
|
A:GLY212
|
3.6
|
22.1
|
1.0
|
ND2
|
A:ASN208
|
3.9
|
23.9
|
1.0
|
CB
|
A:ASP115
|
4.1
|
19.0
|
1.0
|
N
|
A:GLY212
|
4.2
|
22.2
|
1.0
|
N
|
A:VAL210
|
4.2
|
22.2
|
1.0
|
CA
|
A:VAL210
|
4.2
|
19.9
|
1.0
|
CB
|
A:VAL210
|
4.3
|
19.4
|
1.0
|
OD1
|
A:ASP115
|
4.3
|
22.5
|
1.0
|
C
|
A:CYS211
|
4.3
|
23.7
|
1.0
|
N
|
A:ALA206
|
4.3
|
18.7
|
1.0
|
CA
|
A:VAL205
|
4.4
|
19.8
|
1.0
|
CA
|
A:ALA206
|
4.4
|
22.7
|
1.0
|
CA
|
A:GLY212
|
4.4
|
21.6
|
1.0
|
CB
|
A:ASP162
|
4.4
|
19.4
|
1.0
|
N
|
A:VAL205
|
4.4
|
19.4
|
1.0
|
O
|
A:CYS211
|
4.5
|
21.1
|
1.0
|
N
|
A:CYS211
|
4.6
|
24.0
|
1.0
|
CG1
|
A:VAL213
|
4.6
|
25.7
|
1.0
|
N
|
A:VAL213
|
4.6
|
18.2
|
1.0
|
CB
|
A:VAL205
|
4.7
|
21.3
|
1.0
|
N
|
A:ASN208
|
4.7
|
21.6
|
1.0
|
CA
|
A:VAL213
|
4.7
|
19.4
|
1.0
|
C
|
A:ALA206
|
4.7
|
24.2
|
1.0
|
CB
|
A:ASN208
|
4.8
|
21.9
|
1.0
|
O
|
A:HOH724
|
4.8
|
18.2
|
1.0
|
CA
|
A:CYS211
|
4.8
|
22.7
|
1.0
|
N
|
A:ASN207
|
4.9
|
22.8
|
1.0
|
C
|
A:ALA204
|
4.9
|
20.0
|
1.0
|
CB
|
A:CYS211
|
4.9
|
27.1
|
1.0
|
|
Calcium binding site 2 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 2 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca606
b:16.6
occ:1.00
|
OD1
|
A:ASP258
|
2.2
|
21.5
|
1.0
|
OD2
|
A:ASP301
|
2.3
|
24.3
|
1.0
|
O
|
A:HOH758
|
2.3
|
15.9
|
1.0
|
O
|
A:HOH863
|
2.3
|
12.4
|
1.0
|
OE1
|
A:GLU331
|
2.4
|
16.4
|
1.0
|
OE2
|
A:GLU331
|
2.5
|
22.1
|
1.0
|
O
|
A:HOH773
|
2.5
|
24.2
|
1.0
|
CD
|
A:GLU331
|
2.7
|
20.2
|
1.0
|
CG
|
A:ASP301
|
3.2
|
25.4
|
1.0
|
CG
|
A:ASP258
|
3.3
|
26.9
|
1.0
|
OD1
|
A:ASP301
|
4.0
|
24.0
|
1.0
|
CB
|
A:ASP258
|
4.0
|
25.2
|
1.0
|
CB
|
A:ASP301
|
4.0
|
24.4
|
1.0
|
N34
|
H:00S5
|
4.1
|
16.7
|
1.0
|
CA
|
A:ASP258
|
4.2
|
25.8
|
1.0
|
OD2
|
A:ASP258
|
4.3
|
23.5
|
1.0
|
CG
|
A:GLU331
|
4.3
|
20.8
|
1.0
|
O
|
A:SER302
|
4.3
|
21.2
|
1.0
|
O
|
A:SER293
|
4.5
|
20.6
|
1.0
|
O
|
A:HOH922
|
4.6
|
38.8
|
1.0
|
OD2
|
A:ASP306
|
4.6
|
24.6
|
1.0
|
O
|
A:HOH934
|
4.6
|
39.6
|
1.0
|
CA
|
A:GLY294
|
4.7
|
17.7
|
1.0
|
CB
|
A:ASP306
|
4.8
|
18.9
|
1.0
|
C
|
A:SER302
|
4.8
|
23.2
|
1.0
|
C27
|
H:00S5
|
4.8
|
20.3
|
1.0
|
CA
|
A:CYS303
|
4.8
|
23.8
|
1.0
|
N
|
A:GLY296
|
4.9
|
18.0
|
1.0
|
O
|
A:GLU257
|
4.9
|
26.1
|
1.0
|
O
|
A:PRO256
|
4.9
|
19.9
|
1.0
|
|
Calcium binding site 3 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 3 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca607
b:32.3
occ:1.00
|
OD2
|
A:ASP174
|
2.4
|
19.9
|
1.0
|
O
|
A:HOH729
|
2.4
|
18.7
|
1.0
|
O
|
A:ASP181
|
2.4
|
24.9
|
1.0
|
O
|
A:HOH930
|
2.4
|
29.2
|
1.0
|
O
|
A:HOH736
|
2.5
|
22.6
|
1.0
|
OD2
|
A:ASP179
|
2.5
|
27.4
|
1.0
|
OD1
|
A:ASP179
|
2.6
|
25.6
|
1.0
|
CG
|
A:ASP179
|
2.9
|
26.6
|
1.0
|
CG
|
A:ASP174
|
3.3
|
19.6
|
1.0
|
C
|
A:ASP181
|
3.6
|
25.9
|
1.0
|
CB
|
A:ASP174
|
3.6
|
21.2
|
1.0
|
CB
|
A:ASP181
|
4.0
|
27.4
|
1.0
|
CA
|
A:ASP181
|
4.2
|
25.0
|
1.0
|
CB
|
A:ASP179
|
4.4
|
25.9
|
1.0
|
N
|
A:ASP181
|
4.4
|
25.5
|
1.0
|
OD1
|
A:ASP174
|
4.5
|
16.8
|
1.0
|
NH2
|
A:ARG225
|
4.6
|
22.9
|
1.0
|
CB
|
A:ASP177
|
4.6
|
30.8
|
1.0
|
O
|
A:HOH931
|
4.6
|
48.6
|
1.0
|
CG
|
A:ASP181
|
4.6
|
31.6
|
1.0
|
OD2
|
A:ASP177
|
4.6
|
35.0
|
1.0
|
N
|
A:PRO182
|
4.7
|
24.0
|
1.0
|
O
|
A:GLN183
|
4.9
|
21.9
|
1.0
|
O
|
A:HOH855
|
4.9
|
40.4
|
1.0
|
N
|
A:GLN183
|
5.0
|
20.7
|
1.0
|
|
Calcium binding site 4 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 4 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca605
b:26.5
occ:1.00
|
OD2
|
B:ASP115
|
2.2
|
31.0
|
1.0
|
O
|
B:VAL210
|
2.3
|
38.3
|
1.0
|
O
|
B:VAL205
|
2.3
|
28.0
|
1.0
|
O
|
B:GLY212
|
2.3
|
31.1
|
1.0
|
OD1
|
B:ASP162
|
2.3
|
26.5
|
1.0
|
OD1
|
B:ASN208
|
2.5
|
38.1
|
1.0
|
OD2
|
B:ASP162
|
2.7
|
30.6
|
1.0
|
CG
|
B:ASP162
|
2.9
|
30.6
|
1.0
|
CG
|
B:ASP115
|
3.4
|
30.2
|
1.0
|
C
|
B:VAL210
|
3.4
|
37.8
|
1.0
|
C
|
B:VAL205
|
3.5
|
27.8
|
1.0
|
C
|
B:GLY212
|
3.5
|
31.0
|
1.0
|
CG
|
B:ASN208
|
3.5
|
36.2
|
1.0
|
ND2
|
B:ASN208
|
3.9
|
31.9
|
1.0
|
CB
|
B:ASP115
|
4.0
|
30.7
|
1.0
|
N
|
B:GLY212
|
4.1
|
33.7
|
1.0
|
CA
|
B:VAL210
|
4.2
|
35.7
|
1.0
|
N
|
B:VAL210
|
4.2
|
37.5
|
1.0
|
C
|
B:CYS211
|
4.2
|
35.4
|
1.0
|
CB
|
B:VAL210
|
4.3
|
36.3
|
1.0
|
CA
|
B:GLY212
|
4.3
|
30.3
|
1.0
|
OD1
|
B:ASP115
|
4.3
|
29.2
|
1.0
|
N
|
B:ALA206
|
4.4
|
26.0
|
1.0
|
CB
|
B:ASP162
|
4.4
|
30.7
|
1.0
|
CA
|
B:VAL205
|
4.4
|
29.5
|
1.0
|
CA
|
B:ALA206
|
4.4
|
31.6
|
1.0
|
N
|
B:VAL205
|
4.5
|
31.4
|
1.0
|
O
|
B:HOH755
|
4.5
|
29.3
|
1.0
|
N
|
B:CYS211
|
4.5
|
35.9
|
1.0
|
O
|
B:CYS211
|
4.5
|
34.8
|
1.0
|
N
|
B:VAL213
|
4.5
|
29.1
|
1.0
|
CG1
|
B:VAL213
|
4.6
|
28.9
|
1.0
|
CA
|
B:VAL213
|
4.7
|
27.6
|
1.0
|
CB
|
B:VAL205
|
4.7
|
33.5
|
1.0
|
CA
|
B:CYS211
|
4.7
|
35.3
|
1.0
|
N
|
B:ASN208
|
4.8
|
32.8
|
1.0
|
CG1
|
B:VAL210
|
4.8
|
34.0
|
1.0
|
C
|
B:ALA206
|
4.8
|
32.2
|
1.0
|
CB
|
B:CYS211
|
4.8
|
37.0
|
1.0
|
CB
|
B:ASN208
|
4.8
|
35.5
|
1.0
|
C
|
B:ALA204
|
4.9
|
32.0
|
1.0
|
N
|
B:ASN207
|
4.9
|
31.9
|
1.0
|
|
Calcium binding site 5 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 5 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca606
b:17.6
occ:1.00
|
OD1
|
B:ASP258
|
2.3
|
19.6
|
1.0
|
O
|
B:HOH842
|
2.3
|
23.6
|
1.0
|
OE1
|
B:GLU331
|
2.3
|
16.3
|
1.0
|
OD2
|
B:ASP301
|
2.4
|
13.9
|
1.0
|
OE2
|
B:GLU331
|
2.5
|
16.4
|
1.0
|
O
|
B:HOH743
|
2.6
|
24.0
|
1.0
|
O
|
B:HOH717
|
2.6
|
15.7
|
1.0
|
CD
|
B:GLU331
|
2.7
|
19.1
|
1.0
|
CG
|
B:ASP301
|
3.3
|
18.8
|
1.0
|
CG
|
B:ASP258
|
3.3
|
26.3
|
1.0
|
CB
|
B:ASP258
|
3.9
|
26.0
|
1.0
|
OD1
|
B:ASP301
|
4.0
|
17.5
|
1.0
|
CB
|
B:ASP301
|
4.1
|
17.4
|
1.0
|
CA
|
B:ASP258
|
4.1
|
25.8
|
1.0
|
N34
|
I:00S5
|
4.1
|
19.5
|
1.0
|
CG
|
B:GLU331
|
4.3
|
19.3
|
1.0
|
O
|
B:HOH790
|
4.3
|
28.0
|
1.0
|
OD2
|
B:ASP258
|
4.3
|
25.5
|
1.0
|
O
|
B:HOH870
|
4.4
|
33.3
|
1.0
|
O
|
B:SER302
|
4.5
|
23.6
|
1.0
|
O
|
B:SER293
|
4.5
|
21.8
|
1.0
|
OD2
|
B:ASP306
|
4.5
|
14.3
|
1.0
|
CA
|
B:GLY294
|
4.6
|
20.8
|
1.0
|
C27
|
I:00S5
|
4.8
|
19.9
|
1.0
|
CB
|
B:ASP306
|
4.8
|
18.5
|
1.0
|
N
|
B:GLY296
|
4.8
|
21.9
|
1.0
|
C
|
B:SER302
|
4.9
|
23.1
|
1.0
|
O
|
B:GLU257
|
4.9
|
28.2
|
1.0
|
CA
|
B:CYS303
|
4.9
|
20.3
|
1.0
|
O
|
B:PRO256
|
4.9
|
24.8
|
1.0
|
N
|
B:ASP258
|
4.9
|
26.9
|
1.0
|
|
Calcium binding site 6 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 6 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca607
b:38.2
occ:1.00
|
O
|
B:ASP181
|
2.3
|
29.9
|
1.0
|
O
|
B:HOH771
|
2.4
|
28.6
|
1.0
|
OD2
|
B:ASP174
|
2.4
|
31.1
|
1.0
|
OD1
|
B:ASP179
|
2.5
|
38.4
|
1.0
|
O
|
B:HOH810
|
2.5
|
32.9
|
1.0
|
OD2
|
B:ASP179
|
2.6
|
38.3
|
1.0
|
O
|
B:HOH843
|
2.6
|
40.9
|
1.0
|
CG
|
B:ASP179
|
2.8
|
37.3
|
1.0
|
CG
|
B:ASP174
|
3.3
|
30.1
|
1.0
|
C
|
B:ASP181
|
3.5
|
31.6
|
1.0
|
CB
|
B:ASP174
|
3.5
|
28.4
|
1.0
|
CB
|
B:ASP181
|
4.0
|
34.8
|
1.0
|
CA
|
B:ASP181
|
4.1
|
32.3
|
1.0
|
CB
|
B:ASP179
|
4.3
|
34.8
|
1.0
|
N
|
B:ASP181
|
4.4
|
34.3
|
1.0
|
OD1
|
B:ASP174
|
4.5
|
31.5
|
1.0
|
CG
|
B:ASP181
|
4.5
|
36.2
|
1.0
|
NH2
|
B:ARG225
|
4.6
|
27.4
|
1.0
|
CB
|
B:ASP177
|
4.6
|
40.1
|
1.0
|
N
|
B:PRO182
|
4.6
|
32.4
|
1.0
|
OD2
|
B:ASP177
|
4.7
|
42.6
|
1.0
|
OD1
|
B:ASP181
|
4.8
|
35.6
|
1.0
|
O
|
B:GLN183
|
4.9
|
30.5
|
1.0
|
N
|
B:GLN183
|
4.9
|
33.5
|
1.0
|
CA
|
B:PRO182
|
4.9
|
33.2
|
1.0
|
|
Calcium binding site 7 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 7 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca605
b:18.4
occ:1.00
|
O
|
C:VAL205
|
2.2
|
19.6
|
1.0
|
OD2
|
C:ASP115
|
2.3
|
22.4
|
1.0
|
O
|
C:VAL210
|
2.3
|
17.2
|
1.0
|
OD1
|
C:ASP162
|
2.3
|
21.8
|
1.0
|
O
|
C:GLY212
|
2.4
|
23.1
|
1.0
|
OD1
|
C:ASN208
|
2.5
|
21.3
|
1.0
|
OD2
|
C:ASP162
|
2.7
|
19.5
|
1.0
|
CG
|
C:ASP162
|
2.9
|
22.2
|
1.0
|
C
|
C:VAL205
|
3.4
|
20.9
|
1.0
|
CG
|
C:ASP115
|
3.4
|
20.6
|
1.0
|
CG
|
C:ASN208
|
3.5
|
23.8
|
1.0
|
C
|
C:VAL210
|
3.5
|
21.4
|
1.0
|
C
|
C:GLY212
|
3.6
|
21.8
|
1.0
|
ND2
|
C:ASN208
|
3.9
|
27.6
|
1.0
|
CB
|
C:ASP115
|
4.1
|
21.1
|
1.0
|
CA
|
C:VAL210
|
4.2
|
20.8
|
1.0
|
N
|
C:VAL210
|
4.2
|
20.7
|
1.0
|
N
|
C:GLY212
|
4.2
|
23.8
|
1.0
|
CB
|
C:VAL210
|
4.2
|
23.3
|
1.0
|
N
|
C:ALA206
|
4.3
|
22.5
|
1.0
|
CA
|
C:VAL205
|
4.3
|
20.9
|
1.0
|
C
|
C:CYS211
|
4.4
|
25.7
|
1.0
|
CA
|
C:ALA206
|
4.4
|
24.2
|
1.0
|
CB
|
C:ASP162
|
4.4
|
21.7
|
1.0
|
OD1
|
C:ASP115
|
4.4
|
22.4
|
1.0
|
CA
|
C:GLY212
|
4.4
|
20.9
|
1.0
|
N
|
C:VAL205
|
4.4
|
21.6
|
1.0
|
N
|
C:CYS211
|
4.5
|
20.5
|
1.0
|
N
|
C:VAL213
|
4.6
|
19.3
|
1.0
|
O
|
C:CYS211
|
4.7
|
27.2
|
1.0
|
CB
|
C:VAL205
|
4.7
|
25.2
|
1.0
|
N
|
C:ASN208
|
4.7
|
24.8
|
1.0
|
O
|
C:HOH716
|
4.7
|
18.1
|
1.0
|
CG1
|
C:VAL213
|
4.7
|
17.8
|
1.0
|
C
|
C:ALA206
|
4.7
|
25.0
|
1.0
|
CA
|
C:VAL213
|
4.7
|
18.6
|
1.0
|
CB
|
C:ASN208
|
4.8
|
22.1
|
1.0
|
CA
|
C:CYS211
|
4.8
|
25.5
|
1.0
|
CG1
|
C:VAL210
|
4.9
|
21.2
|
1.0
|
C
|
C:ALA204
|
4.9
|
20.2
|
1.0
|
N
|
C:ASN207
|
4.9
|
24.5
|
1.0
|
CB
|
C:CYS211
|
4.9
|
27.6
|
1.0
|
|
Calcium binding site 8 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 8 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca606
b:20.1
occ:1.00
|
OD2
|
C:ASP301
|
2.3
|
17.9
|
1.0
|
OD1
|
C:ASP258
|
2.3
|
19.1
|
1.0
|
O
|
C:HOH788
|
2.4
|
23.8
|
1.0
|
OE1
|
C:GLU331
|
2.4
|
14.9
|
1.0
|
O
|
C:HOH750
|
2.5
|
23.6
|
1.0
|
O
|
C:HOH728
|
2.5
|
21.3
|
1.0
|
OE2
|
C:GLU331
|
2.5
|
19.6
|
1.0
|
CD
|
C:GLU331
|
2.8
|
19.1
|
1.0
|
CG
|
C:ASP301
|
3.2
|
23.1
|
1.0
|
CG
|
C:ASP258
|
3.3
|
24.0
|
1.0
|
CB
|
C:ASP258
|
3.9
|
22.3
|
1.0
|
OD1
|
C:ASP301
|
4.0
|
19.4
|
1.0
|
CB
|
C:ASP301
|
4.0
|
22.4
|
1.0
|
CA
|
C:ASP258
|
4.0
|
24.1
|
1.0
|
N34
|
J:00S5
|
4.2
|
20.8
|
1.0
|
OD2
|
C:ASP258
|
4.2
|
25.9
|
1.0
|
CG
|
C:GLU331
|
4.3
|
17.8
|
1.0
|
O
|
C:HOH849
|
4.4
|
32.4
|
1.0
|
O
|
C:SER302
|
4.5
|
23.3
|
1.0
|
O
|
C:HOH785
|
4.5
|
26.7
|
1.0
|
O
|
C:SER293
|
4.6
|
20.7
|
1.0
|
CA
|
C:GLY294
|
4.7
|
18.4
|
1.0
|
OD2
|
C:ASP306
|
4.7
|
20.6
|
1.0
|
O
|
C:PRO256
|
4.8
|
25.9
|
1.0
|
CB
|
C:ASP306
|
4.8
|
19.0
|
1.0
|
O
|
C:GLU257
|
4.8
|
25.7
|
1.0
|
C27
|
J:00S5
|
4.8
|
21.3
|
1.0
|
N
|
C:GLY296
|
4.9
|
18.7
|
1.0
|
N
|
C:ASP258
|
4.9
|
23.4
|
1.0
|
C
|
C:SER302
|
4.9
|
24.0
|
1.0
|
CA
|
C:CYS303
|
5.0
|
20.0
|
1.0
|
|
Calcium binding site 9 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 9 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca607
b:31.6
occ:1.00
|
OD1
|
C:ASP179
|
2.4
|
32.9
|
1.0
|
O
|
C:ASP181
|
2.4
|
31.5
|
1.0
|
OD2
|
C:ASP174
|
2.4
|
24.6
|
1.0
|
O
|
C:HOH859
|
2.5
|
41.0
|
1.0
|
OD2
|
C:ASP179
|
2.5
|
32.3
|
1.0
|
O
|
C:HOH800
|
2.5
|
26.1
|
1.0
|
CG
|
C:ASP179
|
2.8
|
32.6
|
1.0
|
O
|
C:HOH797
|
2.8
|
25.7
|
1.0
|
CG
|
C:ASP174
|
3.3
|
26.3
|
1.0
|
CB
|
C:ASP174
|
3.5
|
23.4
|
1.0
|
C
|
C:ASP181
|
3.5
|
32.1
|
1.0
|
CB
|
C:ASP181
|
3.9
|
35.9
|
1.0
|
CA
|
C:ASP181
|
4.1
|
34.1
|
1.0
|
CB
|
C:ASP179
|
4.3
|
33.1
|
1.0
|
N
|
C:ASP181
|
4.3
|
33.3
|
1.0
|
OD1
|
C:ASP174
|
4.5
|
27.3
|
1.0
|
CG
|
C:ASP181
|
4.5
|
38.5
|
1.0
|
CB
|
C:ASP177
|
4.6
|
36.1
|
1.0
|
N
|
C:PRO182
|
4.6
|
31.0
|
1.0
|
O
|
C:HOH881
|
4.7
|
36.6
|
1.0
|
NH2
|
C:ARG225
|
4.7
|
21.0
|
1.0
|
OD2
|
C:ASP177
|
4.7
|
41.6
|
1.0
|
OD1
|
C:ASP181
|
4.8
|
39.5
|
1.0
|
O
|
C:GLN183
|
5.0
|
25.5
|
1.0
|
CA
|
C:PRO182
|
5.0
|
30.7
|
1.0
|
CA
|
C:ASP174
|
5.0
|
23.1
|
1.0
|
|
Calcium binding site 10 out
of 18 in 4omc
Go back to
Calcium Binding Sites List in 4omc
Calcium binding site 10 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Meta-Guanidinomethyl-Phac-Rvr-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca605
b:24.1
occ:1.00
|
O
|
D:VAL210
|
2.2
|
26.6
|
1.0
|
OD2
|
D:ASP115
|
2.3
|
24.9
|
1.0
|
O
|
D:VAL205
|
2.3
|
22.9
|
1.0
|
O
|
D:GLY212
|
2.4
|
23.9
|
1.0
|
OD1
|
D:ASP162
|
2.4
|
25.6
|
1.0
|
OD1
|
D:ASN208
|
2.5
|
22.6
|
1.0
|
OD2
|
D:ASP162
|
2.7
|
22.6
|
1.0
|
CG
|
D:ASP162
|
2.9
|
24.7
|
1.0
|
CG
|
D:ASP115
|
3.4
|
25.5
|
1.0
|
C
|
D:VAL210
|
3.4
|
28.2
|
1.0
|
C
|
D:VAL205
|
3.5
|
23.7
|
1.0
|
C
|
D:GLY212
|
3.6
|
24.4
|
1.0
|
CG
|
D:ASN208
|
3.6
|
25.4
|
1.0
|
ND2
|
D:ASN208
|
4.0
|
21.0
|
1.0
|
N
|
D:GLY212
|
4.1
|
29.0
|
1.0
|
CB
|
D:ASP115
|
4.1
|
27.9
|
1.0
|
CA
|
D:VAL210
|
4.1
|
28.4
|
1.0
|
N
|
D:VAL210
|
4.2
|
27.4
|
1.0
|
C
|
D:CYS211
|
4.2
|
30.9
|
1.0
|
CB
|
D:VAL210
|
4.3
|
29.3
|
1.0
|
CA
|
D:GLY212
|
4.3
|
25.5
|
1.0
|
OD1
|
D:ASP115
|
4.3
|
29.6
|
1.0
|
CB
|
D:ASP162
|
4.4
|
22.5
|
1.0
|
N
|
D:ALA206
|
4.4
|
23.7
|
1.0
|
CA
|
D:VAL205
|
4.4
|
22.9
|
1.0
|
CA
|
D:ALA206
|
4.5
|
24.8
|
1.0
|
N
|
D:CYS211
|
4.5
|
30.3
|
1.0
|
N
|
D:VAL205
|
4.5
|
24.0
|
1.0
|
O
|
D:CYS211
|
4.5
|
32.9
|
1.0
|
N
|
D:VAL213
|
4.6
|
23.5
|
1.0
|
CG1
|
D:VAL213
|
4.7
|
25.2
|
1.0
|
CA
|
D:VAL213
|
4.7
|
23.4
|
1.0
|
O
|
D:HOH801
|
4.7
|
20.5
|
1.0
|
CB
|
D:VAL205
|
4.7
|
23.9
|
1.0
|
CA
|
D:CYS211
|
4.7
|
31.6
|
1.0
|
N
|
D:ASN208
|
4.8
|
30.7
|
1.0
|
CB
|
D:CYS211
|
4.8
|
33.7
|
1.0
|
C
|
D:ALA206
|
4.8
|
26.8
|
1.0
|
CG1
|
D:VAL210
|
4.9
|
24.7
|
1.0
|
CB
|
D:ASN208
|
4.9
|
25.8
|
1.0
|
C
|
D:ALA204
|
4.9
|
24.1
|
1.0
|
N
|
D:ASN207
|
5.0
|
28.9
|
1.0
|
|
Reference:
S.O.Dahms,
K.Hardes,
G.L.Becker,
T.Steinmetzer,
H.Brandstetter,
M.E.Than.
X-Ray Structures of Human Furin in Complex with Competitive Inhibitors. Acs Chem.Biol. V. 9 1113 2014.
ISSN: ISSN 1554-8929
PubMed: 24666235
DOI: 10.1021/CB500087X
Page generated: Sun Jul 14 11:24:42 2024
|